%chk=000272924.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272924

0 1
S 2.177009 0.734534 0.450791
O -5.772745 -0.040121 -0.358840
O -1.619908 -1.624190 -1.785035
O -4.624662 1.403648 0.997065
N -0.436714 1.175940 0.831793
N -3.551362 -0.154045 -0.439555
N 0.139644 -0.530376 -0.748166
N -1.786853 1.014623 0.666767
C 4.489113 -0.165133 -0.360270
C 3.050226 -0.443038 -0.634264
C 5.160283 -0.861363 0.658199
C 5.179764 0.792171 -1.121239
C 0.480470 0.407974 0.128121
C 6.509821 -0.601427 0.909270
C 6.529234 1.046872 -0.864542
C -2.192032 0.090200 -0.197298
C 7.195887 0.351848 0.149761
C -1.218441 -0.793326 -1.007934
C -7.043968 0.516856 0.144811
C -4.628347 0.521512 0.176530
C -8.088745 -0.277401 -0.605306
H 2.760006 -0.285403 -1.695218
H 2.745928 -1.486419 -0.403109
H 4.631562 -1.605395 1.253101
H 4.666207 1.336663 -1.912962
H 7.028278 -1.144034 1.698939
H 7.062833 1.788925 -1.457356
H 8.247863 0.551919 0.347183
H -0.189107 1.904956 1.512469
H -3.762690 -0.895073 -1.131029
H -7.065623 0.362621 1.237494
H -7.050790 1.595581 -0.088681
H -9.101983 0.036152 -0.325093
H -7.984977 -0.154294 -1.692919
H -7.999384 -1.354257 -0.402278


%chk=000272924-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272924

0 1
S 2.187826 1.006769 0.692467
O -5.785958 -0.118881 -0.424675
O -1.660232 -1.476892 -1.610385
O -4.796704 1.456452 1.022188
N -0.493250 1.364354 0.983054
N -3.538289 -0.044116 -0.329780
N 0.122313 -0.341284 -0.557828
N -1.872257 1.213482 0.830812
C 4.537243 -0.133410 -0.332318
C 3.043749 -0.268672 -0.478873
C 5.241762 -0.913174 0.621725
C 5.263091 0.770816 -1.151078
C 0.448144 0.612350 0.311875
C 6.643028 -0.795239 0.751807
C 6.664223 0.890337 -1.022112
C -2.217755 0.260173 -0.038327
C 7.357916 0.107638 -0.069607
C -1.233286 -0.595506 -0.804599
C -7.135441 0.359251 -0.002274
C -4.704020 0.535741 0.184504
C -8.154538 -0.467143 -0.779093
H 2.673415 -0.033687 -1.487147
H 2.654565 -1.251340 -0.176091
H 4.689922 -1.614554 1.259037
H 4.727732 1.377895 -1.890997
H 7.175921 -1.406414 1.488454
H 7.213629 1.588391 -1.663238
H 8.445277 0.198370 0.029625
H -0.238508 2.095880 1.648021
H -3.636382 -0.803016 -1.020616
H -7.225279 0.224542 1.090958
H -7.207151 1.439363 -0.224681
H -9.177169 -0.154208 -0.500330
H -8.031706 -0.325036 -1.866258
H -8.046033 -1.541534 -0.553023


